CID 3077010

5h-pyrazolo(3,4-b)pyrazine-5-thione, 1,4-dihydro-

Structural Information

Molecular Formula
C5H4N4S
SMILES
C1=NNC2=C1NC(=S)C=N2
InChI
InChI=1S/C5H4N4S/c10-4-2-6-5-3(8-4)1-7-9-5/h1-2H,(H,8,10)(H,6,7,9)
InChIKey
IAWOLXSKCXZSOQ-UHFFFAOYSA-N
Compound name
1,4-dihydropyrazolo[4,5-b]pyrazine-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.01567 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.022946 125.7
[M+Na]+ 175.004888 138.9
[M-H]- 151.008394 123.8
[M+NH4]+ 170.049493 144.3
[M+K]+ 190.978828 133.4
[M+H-H2O]+ 135.012930 119.5
[M+HCOO]- 197.013871 140.8
[M+CH3COO]- 211.029521 139.1
[M+Na-2H]- 172.990336 132.2
[M]+ 152.01512142 125.9
[M]- 152.01621858 125.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.